2-[(cyclobutylamino)methyl]-5-fluorophenol

C11H14FNO — CID 117220815

IUPAC2-[(cyclobutylamino)methyl]-5-fluorophenol
SMILESOc1cc(F)ccc1CNC1CCC1
InChIInChI=1S/C11H14FNO/c12-9-5-4-8(11(14)6-9)7-13-10-2-1-3-10/h4-6,10,13-14H,1-3,7H2
InChIKeyYGQHRTJLIWDSRM-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.17
Rot. Bonds3

About 2-[(cyclobutylamino)methyl]-5-fluorophenol

2-[(cyclobutylamino)methyl]-5-fluorophenol (PubChem CID 117220815) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[(cyclobutylamino)methyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[(cyclobutylamino)methyl]-5-fluorophenol
PubChem CID117220815
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-[(cyclobutylamino)methyl]-5-fluorophenol
SMILESOc1cc(F)ccc1CNC1CCC1
InChIInChI=1S/C11H14FNO/c12-9-5-4-8(11(14)6-9)7-13-10-2-1-3-10/h4-6,10,13-14H,1-3,7H2
InChIKeyYGQHRTJLIWDSRM-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094
4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 43317735
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutylamino)methyl]-5-fluorophenol?
The IUPAC name of 2-[(cyclobutylamino)methyl]-5-fluorophenol (CID 117220815) is 2-[(cyclobutylamino)methyl]-5-fluorophenol.
What is the SMILES notation for 2-[(cyclobutylamino)methyl]-5-fluorophenol?
The canonical SMILES for 2-[(cyclobutylamino)methyl]-5-fluorophenol is Oc1cc(F)ccc1CNC1CCC1.
What is the InChIKey of 2-[(cyclobutylamino)methyl]-5-fluorophenol?
The InChIKey is YGQHRTJLIWDSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-5-4-8(11(14)6-9)7-13-10-2-1-3-10/h4-6,10,13-14H,1-3,7H2.
What are the key properties of 2-[(cyclobutylamino)methyl]-5-fluorophenol?
2-[(cyclobutylamino)methyl]-5-fluorophenol has a molecular weight of 195.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutylamino)methyl]-5-fluorophenol is sourced from PubChem (CID 117220815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).